Spektraris NMR
Excavatolide K
Common Name: Excavatolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O13/c1-13-10-21(38-16(4)32)25(40-18(6)34)28(8)22(39-17(5)33)12-20(37-15(3)31)14(2)24(28)26(41-19(7)35)30-23(11-13)42-27(36)29(30,9)43-30/h11,14,20-26H,10,12H2,1-9H3/b13-11-/t14-,20-,21-,22-,23-,24+,25-,26-,28-,29-,30-/m0/s1
InChIKey: InChIKey=QFKNIEBDNWDFMV-NWYOGLLFSA-N
Formula: C30H40O13
Molecular Weight: 608.631971
Exact Mass: 608.246891
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Su, J.H., Wang, G.H., Lin, S.F., Duh, C.Y., Sheu, J.H. J Nat Prod (1999) 62, 457-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 44 |
| 2 (CH) | 80.9 |
| 3 (CH) | 73.6 |
| 4 (CH2) | 33.9 |
| 5 (C) | 139.9 |
| 6 (CH) | 122.5 |
| 7 (CH) | 74.2 |
| 8 (C) | 69 |
| 9 (CH) | 64.9 |
| 10 (CH) | 40.1 |
| 11 (CH) | 32.8 |
| 12 (CH) | 70.1 |
| 13 (CH2) | 27 |
| 14 (CH) | 81.5 |
| 15 (CH3) | 18.1 |
| 16 (CH3) | 20.8 |
| 17 (C) | 60.6 |
| 18 (CH3) | 10.3 |
| 19 (C) | 172.4 |
| 20 (CH3) | 10.1 |
| 2a (C) | 169.8 |
| 2b (CH3) | 21 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.4 |
| 9a (C) | 170.4 |
| 9b (CH3) | 22.1 |
| 12a (C) | 170.5 |
| 12b (CH3) | 22.4 |
| 14a (C) | 170.8 |
| 14b (CH3) | 22.8 |
